SCHEMBL4863328

SCHEMBL4863328

C=CC(=O)OCC12CC3CC(C1)CC(OS(=O)(=O)c1ccccc1C)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
SCN9A Q15858 4/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4862175 0.88 P2RX7 (0.35) P2RX7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL4858003 0.86 P2RX7 (0.36) P2RX7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL4864958 0.85 DPP8 (0.34) P2RX7CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4857762 0.80 ALDH1A1 (0.35) SCN9AKMT2A
SCHEMBL4863587 0.75 ALDH1A1 (0.32) SCN9AKMT2A
SCHEMBL4863041 0.74 POLB (0.35) P2RX7CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4864608 0.74 P2RX7 (0.35) P2RX7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL16708438 0.73 ALDH1A1 (0.39) POLBKMT2A
SCHEMBL4866160 0.73 DPP8 (0.33) P2RX7CYP1A2CYP2C9CYP2C19POLB
SCHEMBL822920 0.73 ALDH1A1 (0.46) POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456311-B2 Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-11-25 US disclosed
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-01-10 US disclosed
EP-1803708-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2007-07-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist LSS, C1S, DHPS P2RX7 2256/4885SCN9A 503/4885CYP1A2 148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.